GraphChem is an open source Python package for constructing graph-based machine learning models with a focus on fuel property prediction. To contribute to GraphChem, make a pull request. Contributions ...

Subgraph-conditioned Graph Information Bottleneck (S-CGIB) is a novel architecture for pre-training Graph Neural Networks in molecular property prediction and developed by NS Lab, CUK based on pure ...

Intuitively, the clustering performance is further limited due to the lack of achieving the desirable clustering quality in the graph representation learning process. To this end, this paper proposes ...